CID 6435858

Glyceryl lactooleate

Structural Information

Molecular Formula
C24H44O6
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC(CO)COC(C)C(=O)O
InChI
InChI=1S/C24H44O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)30-22(19-25)20-29-21(2)24(27)28/h10-11,21-22,25H,3-9,12-20H2,1-2H3,(H,27,28)/b11-10-
InChIKey
KOLAFJFESDNVMY-KHPPLWFESA-N
Compound name
2-[3-hydroxy-2-[(Z)-octadec-9-enoyl]oxypropoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

93
Patents

428.31378 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.32106 217.9
[M+Na]+ 451.30300 219.6
[M+NH4]+ 446.34760 219.6
[M+K]+ 467.27694 217.4
[M-H]- 427.30650 209.7
[M+Na-2H]- 449.28845 221.2
[M]+ 428.31323 215.6
[M]- 428.31433 215.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe